Scientific research with AI co-participation in chemistry: Prompt engineering and AI ethical challenges in the scientific discovery process
- Juliana Jansen Ferreira
- Vinicius Segura
- et al.
- 2025
- ACS Fall 2025
Conference paper
Publications
24 results at ACS Fall 2025
Dynamic Multimodal Fusion for Robust Molecular Representation Learning
- 2025
- ACS Fall 2025
Conference paperAI, Physics-Based Models, and the Complex and Complicated Nature of Drug Design
- 2025
- ACS Fall 2025
Invited talkA Discrete Diffusion Model for de novo Molecular Generation with Continuous Property Guidance
- Partha Suryanarayanan
- Shreyans Sethi
- et al.
- 2025
- ACS Fall 2025
TalkMolecular diffusion enhanced performance evaluation of metal-organic frameworks for CO2 capture
- Rodrigo Neumann Barros Ferreira
- Yogesh Joshi
- et al.
- 2025
- ACS Fall 2025
TalkHow to generalize machine learning models to both canonical and non-canonical peptides
- Raúl Fernández Díaz
- Rodrigo Ochoa
- et al.
- 2025
- ACS Fall 2025
TalkRaman-spectroscopic evidence of CO2 adsorption in single MOF crystals
- Matheus Esteves Ferreira
- Geisa Lima
- et al.
- 2025
- ACS Fall 2025
TalkReducing the quantum resource requirements for simulating molecules: Generalized entanglement forging
- Tanvi Gujarati
- Ieva Liepuoniute
- et al.
- 2025
- ACS Fall 2025
TalkPan-Target Generation and Validation of Antibody Sequences Driven by an Iterative, Multimodal Foundation Model AI Approach
- 2025
- ACS Fall 2025
TalkVibrational analysis of gas adsorption in metal-organic frameworks
- Pamela Costa Carvalho
- Matheus Esteves Ferreira
- et al.
- 2025
- ACS Fall 2025
Talk